CID 747897

2-(4-aminophenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)N)C(=O)O
InChI
InChI=1S/C16H12N2O2/c17-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)18-15/h1-9H,17H2,(H,19,20)
InChIKey
XYOZPCKKENHWOG-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

264.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.097146 158.9
[M+Na]+ 287.079088 167.4
[M-H]- 263.082594 163.9
[M+NH4]+ 282.123693 173.8
[M+K]+ 303.053028 162.0
[M+H-H2O]+ 247.087130 150.6
[M+HCOO]- 309.088071 179.5
[M+CH3COO]- 323.103721 170.4
[M+Na-2H]- 285.064536 164.9
[M]+ 264.08932142 157.2
[M]- 264.09041858 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe